Full Configuration Interaction Excited-State Energies in Large Active Spaces from Subspace Iteration with Repeated Random Sparsification.
Autor: | Greene, Samuel M., Webber, Robert J., Smith, James E. T., Weare, Jonathan, Berkelbach, Timothy C. |
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Zdroj: | Journal of Chemical Theory & Computation; 12/13/2022, Vol. 18 Issue 12, p7218-7232, 15p |
Databáze: | Supplemental Index |
Externí odkaz: |